低合金钢中合金元素对基体的作用及性能影响

摘要

选取低合金钢12Cr1MoV作为研究材料,通过分析表明,12Cr1MoV钢中存在2种主要结构模型:不含C单元α-Fe和含C单元α-Fe-C.在此基础上,建立相应模型,利用Materials Studio软件的CASTEP模块对模型进行计算,计算出基体的结合能、费米能级,从而分析出不同合金元素对基体的腐蚀性及对稳定性的影响.研究表明,对于含C基体和不含C基体有以下共同结论:1)对于提高基体的稳定性,Mo元素的作用要强于Gr元素与V元素；2)对于提高基体的抗氧化性,Cr元素的作用要强于Mo与V元素.%In this paper, the 12CrlMoV low alloy steel is studied. There are two main structure models existing in 12CrlMoV alloy steel: the models with the no-carbon unit o-Fe and with the carbon unit a-Fe - C, both models are also established. On this basis, Materials studio CASTEP module is used to calculate these models, so the binding energy, Fermi energy and density of states of the matrix can be obtained. The study shows that, whether or not carbon matrix, we have: 1) For improving the stability of the matrix, the effect of Mo element is stronger than the elements V and Gr. 2) For improving the oxidation resistance of the matrix, the effect of Cr element is stronger than Mo and V elements.